Diethyl naphthalene-1,8-dicarboxylate
TL;DR: Diethyl naphthalene-1,8-dicarboxylate (CAS 59090-48-1) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl naphthalene-1,8-dicarboxylate
Also Known As: diethyl naphthalene-1,8-dicarboxylate, NCIOpen2_007063, 1,8-Naphthalenedicarboxylic acid, diethyl ester, naphthalene-1,8-dicarboxylic acid diethyl ester, 1,8-Naphthalenedicarboxylicacid, 1,8-diethyl ester
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 59090-48-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)OCC |
| InChIKey | QQVYUYPLQBYRLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl naphthalene-1,8-dicarboxylate (CAS 59090-48-1), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: diethyl naphthalene-1,8-dicarboxylate.
Chemical Property Profile of Diethyl naphthalene-1,8-dicarboxylate
Property Insights of Diethyl naphthalene-1,8-dicarboxylate
The XLogP value of 3.4 indicates that Diethyl naphthalene-1,8-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl naphthalene-1,8-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl naphthalene-1,8-dicarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl naphthalene-1,8-dicarboxylate?
The CAS number of Diethyl naphthalene-1,8-dicarboxylate is 59090-48-1.
What is the molecular formula of Diethyl naphthalene-1,8-dicarboxylate?
The molecular formula of Diethyl naphthalene-1,8-dicarboxylate is C16H16O4.
What is the molecular weight of Diethyl naphthalene-1,8-dicarboxylate?
The molecular weight of Diethyl naphthalene-1,8-dicarboxylate is 272.10 g/mol.
Where can I buy Diethyl naphthalene-1,8-dicarboxylate?
You can request a quote for Diethyl naphthalene-1,8-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl naphthalene-1,8-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl naphthalene-1,8-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.